SCHEMBL4032380

SCHEMBL4032380

CC(C)N1CCC(CC2CCN(c3ccc(C(F)(F)F)nn3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.47
CXCR3 P49682 1/20 0.42
HRH3 Q9Y5N1 10/20 0.41
LCAT P04180 4/20 0.38
SLC6A9 P48067 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5209950 0.85 HRH3 (0.48) OGAHRH3SLC6A9
SCHEMBL4033947 0.80 CXCR3 (0.40) OGACXCR3HRH3LCAT
SCHEMBL13683688 0.78 HRH3 (0.65) OGAHRH3SLC6A9
SCHEMBL3868433 0.74 HRH3 (0.72) OGAHRH3SLC6A9
Hydrochloric Acid SCHEMBL3861682 0.74 HRH3 (0.71) OGAHRH3SLC6A9
SCHEMBL4034653 0.74 HRH3 (0.44) HRH3LCAT
SCHEMBL20249325 0.71 HRH3 (0.48) OGAHRH3
SCHEMBL9920471 0.71 OGA (0.42) OGACXCR3LCATSLC6A9
SCHEMBL9923207 0.71 OGA (0.42) OGACXCR3LCATSLC6A9
SCHEMBL27728018 0.71 OGA (0.50) OGACXCR3HRH3LCATSLC6A9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638631-B2 Methylene dipiperidine derivatives GLAXO GROUP LIMITED (GB) 2009-12-29 US claimed
EP-1789410-B1 METHYLENE DIPIPERIDINE DERIVATIVES GLAXO GROUP LTD (GB) 2009-06-17 EP claimed
US-20080108624-A1 Methylene Dipiperidine Derivatives GLAXO GROUP LIMITED (GB) 2008-05-08 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080108624-A1 Methylene Dipiperidine Derivatives DRD2, DRD4, PNMT OGA 4527/4885CXCR3 3867/4885HRH3 620/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.